[4-(cyanomethyl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: [4-(cyanomethyl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Openeye Name: [4-(cyanomethyl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(3-nitrophenyl)-2-propenoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(3-nitrophenyl)acrylic acid [4-(cyanomethyl)phenyl] ester Formula: C17H12N2O4 MolecularWeight: 308.28818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H12N2O4/c18-11-10-13-4-7-16(8-5-13)23-17(20)9-6-14-2-1-3-15(12-14)19(21)22/h1-9,12H,10H2/b9-6+